Dataset

Carboxy terbinafine; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094449 contains the MS2 mass spectrum of Carboxy terbinafine with the InChIkey DSPCPJFHUUUMEV-XBXARRHUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24)/b8-4+
SMILES CN(C\C=C\C#CC(C)(C)C(O)=O)Cc1cccc2ccccc12
InChI Key DSPCPJFHUUUMEV-XBXARRHUSA-N
Molecular Formula C21H23NO2
Exact Mass 321.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094449
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MetadataPublished 2023-11-09
Related Molecule
  • (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6443234 PubChem
    40510338 PubChem
    J431.483B Nikkaji
    ZINC000005167702 ZINC
    J564.713D Nikkaji
    27517782 eMolecules
    186075 ChEBI
    99473-14-0 ACToR
    SCHEMBL3253585 SureChEMBL
    14975545 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.